Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[8-[[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]carbamoylamino]octyl]-6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanamide;2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 166628933
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1
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Compound Formula C50H61BF8N10O8S2
Compound Structure
Protein Name
 Protein Info 
Histamine H2 receptor
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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Histamine receptor
Uniprot ID
P25021
Gene Name
HRH2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001049 HEK293T-qs5-HA
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd = 81.28 nM
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